SCHEMBL28285494

SCHEMBL28285494

B.CCC=CC(CC(=O)O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
CYP19A1 P11511 4/20 0.33
PPARG P37231 3/20 0.33
OXER1 Q8TDS5 3/20 0.33
MAPT P10636 3/20 0.33
RXRA P19793 2/20 0.33
FFAR1 O14842 2/20 0.33
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 0.33
FPR2 P25090 1/20 0.32
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
PTGS1 P23219 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
HDAC2 Q92769 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL854312 0.98 ALDH1A1 (0.34) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL462259 0.98 ALDH1A1 (0.34) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL29287443 0.84 LMNA (0.32) ALDH1A1LMNAKDM4EALOX15TDP1
SCHEMBL28832993 0.84 TDP1 (0.36) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL462258 0.84 GRIK1 (0.31) GRIK1GRIK2KMT2AMEN1CYP3A4
SCHEMBL570082 0.84 GRIK1 (0.31) GRIK1GRIK2KMT2AMEN1CYP3A4
SCHEMBL40726 0.82 TDP1 (0.37) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL29962280 0.82 TDP1 (0.37) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL40727 0.82 TDP1 (0.37) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL161176 0.78 TERT (0.50) CYP19A1PPARGMAPTF7F3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109477025-A Lubricating oil composition and method for producing same 出光兴产株式会社 2019-03-15 CN disclosed